Search results for "computer simulation"
showing 10 items of 1054 documents
The telltale structures of epoxide hydrolases.
2003
Traditionally, epoxide hydrolases (EH) have been regarded as xenobiotic-metabolizing enzymes implicated in the detoxification of foreign compounds. They are known to play a key role in the control of potentially genotoxic epoxides that arise during metabolism of many lipophilic compounds. Although this is apparently the main function for the mammalian microsomal epoxide hydrolase (mEH), evidence is now accumulating that the mammalian soluble epoxide hydrolase (sEH), despite its proven role in xenobiotic metabolism, also has a central role in the formation and breakdown of physiological signaling molecules. In addition, a certain class of microbial epoxide hydrolases has recently been identi…
An easy-to-use model for O2 supply to red muscle. Validity of assumptions, sensitivity to errors in data
1995
An easy-to-use capillary cylinder model of O2 supply to muscle is presented that considers all those factors that are known to be most important for realistic results: (1) red blood cell (RBC) O2 unloading along the capillary, (2) effects of the particulate nature of blood, (3) free and hemoglobin-facilitated O2 diffusion and reaction kinetics inside RBCs, (4) free and myoglobin-facilitated O2 diffusion inside the muscle cell, and (5) carrier-free region separating RBC and tissue. In a first approach, a highly simplified yet reasonably accurate treatment of the complex three-dimensional oxygen diffusion field in and next to capillaries is employed. As an alternative, a more realistic descri…
Commentary on the MID3 Good Practices Paper
2017
Contains fulltext : 178217.pdf (Publisher’s version ) (Open Access) During the last 10 years the European Medicines Agency (EMA) organized a number of workshops on modeling and simulation, working towards greater integration of modeling and simulation (M&S) in the development and regulatory assessment of medicines. In the 2011 EMA - European Federation of Pharmaceutical Industries and Associations (EFPIA) Workshop on Modelling and Simulation, European regulators agreed to the necessity to build expertise to be able to review M&S data provided by companies in their dossier. This led to the establishment of the EMA Modelling and Simulation Working Group (MSWG). Also, there was agreement reach…
On the power and the systematic biases of the detection of chromosomal inversions by paired-end genome sequencing
2013
One of the most used techniques to study structural variation at a genome level is paired-end mapping (PEM). PEM has the advantage of being able to detect balanced events, such as inversions and translocations. However, inversions are still quite difficult to predict reliably, especially from high-throughput sequencing data. We simulated realistic PEM experiments with different combinations of read and library fragment lengths, including sequencing errors and meaningful base-qualities, to quantify and track down the origin of false positives and negatives along sequencing, mapping, and downstream analysis. We show that PEM is very appropriate to detect a wide range of inversions, even with …
PACo: a novel procrustes application to cophylogenetic analysis.
2013
We present Procrustean Approach to Cophylogeny (PACo), a novel statistical tool to test for congruence between phylogenetic trees, or between phylogenetic distance matrices of associated taxa. Unlike previous tests, PACo evaluates the dependence of one phylogeny upon the other. This makes it especially appropriate to test the classical coevolutionary model that assumes that parasites that spend part of their life in or on their hosts track the phylogeny of their hosts. The new method does not require fully resolved phylogenies and allows for multiple host-parasite associations. PACo produces a Procrustes superimposition plot enabling a graphical assessment of the fit of the parasite phyloge…
Determination of transport and kinetic properties in self-propagating high-temperature synthesis
2007
International audience; Exothermic reactions in solid powders are analyzed using the usual macroscopic modeling based on the heat transfer equation coupled to an Arrhenius type of dynamics. This problem have important applications in the synthesis of intermetallics and ceramic materials which occur when a high temperature reaction wave propagates throughout the system. Understanding the mechanism of such processes are thus crucial in mastering real laboratory experiments. We first analyze the model, both theoretically and numerically, for a set of representative parameters. We then use traditional data analyses procedures to estimate from the temperature profiles the same set of representat…
On the effectiveness of Finite Element simulation of orthogonal cutting with particular reference to temperature prediction
2007
Abstract Finite Element simulation of orthogonal cutting is nowadays assuming a large relevance; in fact a very large number of papers may be found out in technical literature on this topic. In recent years, numerical simulation was performed to investigate various phenomena such as chip segmentation, force prediction and tool wear. On the other hand, some drawbacks have to be highlighted; due to the geometrical and computational complexity of the updated-Lagrangian formulation mostly used in FE codes, a cutting time of only a few milliseconds can be effectively simulated. Therefore, steady-state thermal conditions are not reached and the simulation of the thermal phenomenon may be ineffect…
A simple inverse procedure to determine heat flux on the tool in orthogonal cutting
2006
The applications of numerical simulation to machining processes have been more and more increasing in the last decade: today, a quite effective predictive capability has been reached, at least as far as global cutting variables (for instance cutting forces) are concerned. On the other hand, the capability to predict local cutting variables (i.e. stresses acting on the tool, temperature distribution, residual stresses in the machined surface) has to be furtherly improved, as well as effective experimental procedures to validate numerical results have to be developed. The aim of this paper is the proposition of an innovative approach, based on an simple inverse procedure, in order to identify…
Nonlinearities and Adaptation of Color Vision from Sequential Principal Curves Analysis
2016
Mechanisms of human color vision are characterized by two phenomenological aspects: the system is nonlinear and adaptive to changing environments. Conventional attempts to derive these features from statistics use separate arguments for each aspect. The few statistical explanations that do consider both phenomena simultaneously follow parametric formulations based on empirical models. Therefore, it may be argued that the behavior does not come directly from the color statistics but from the convenient functional form adopted. In addition, many times the whole statistical analysis is based on simplified databases that disregard relevant physical effects in the input signal, as, for instance…
Kernel methods and their derivatives: Concept and perspectives for the earth system sciences.
2020
Kernel methods are powerful machine learning techniques which implement generic non-linear functions to solve complex tasks in a simple way. They Have a solid mathematical background and exhibit excellent performance in practice. However, kernel machines are still considered black-box models as the feature mapping is not directly accessible and difficult to interpret.The aim of this work is to show that it is indeed possible to interpret the functions learned by various kernel methods is intuitive despite their complexity. Specifically, we show that derivatives of these functions have a simple mathematical formulation, are easy to compute, and can be applied to many different problems. We n…